7SDS

[C:Ag+:T] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.65313
Spacegroup name	H 3
Unit cell lengths	106.361, 106.361, 92.685
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.670 - 3.700
R-factor	0.2603
Rwork	0.259
R-free	0.28810
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.988
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.334	65.334	4.157
High resolution limit [Å]	3.700	9.968	3.701
Number of reflections	2690	208	209
<I/σ(I)>	9.6		0.7
Completeness [%]	84.1		41.6
Redundancy	10.4
CC(1/2)	0.987	0.992	0.137

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	MOPS, Magnesium sulfate, Silver nitrate